N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine

C14H18ClN3O — CID 114646379

IUPACN-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1c(OC)cnn1C
InChIInChI=1S/C14H18ClN3O/c1-4-16-13(10-5-7-11(15)8-6-10)14-12(19-3)9-17-18(14)2/h5-9,13,16H,4H2,1-3H3
InChIKeyMZYZSUKXGXPZLT-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.78
Rot. Bonds5

About N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine

N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine (PubChem CID 114646379) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
PubChem CID114646379
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1c(OC)cnn1C
InChIInChI=1S/C14H18ClN3O/c1-4-16-13(10-5-7-11(15)8-6-10)14-12(19-3)9-17-18(14)2/h5-9,13,16H,4H2,1-3H3
InChIKeyMZYZSUKXGXPZLT-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114646374
N-[(3-fluoro-4-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114647859
N-[(2,5-difluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114651637
N-[(4-chloro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105047098
N-[(4-bromo-3-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105047345
N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 105046994
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 114646478
N-[(3-bromo-5-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114656391
1-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114646357
N-[(4-chloro-1-methylpyrazol-5-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 105046393
N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114646936
1-(4-ethylsulfanylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 106848978

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine (CID 114646379) is N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1c(OC)cnn1C.
What is the InChIKey of N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is MZYZSUKXGXPZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-4-16-13(10-5-7-11(15)8-6-10)14-12(19-3)9-17-18(14)2/h5-9,13,16H,4H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 114646379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).